X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 295 200 mM magnesium formate, 100 mM Tris-HCl (pH 8.5), 20% PEG3350
Unit Cell:
a: 94.174 Å b: 59.275 Å c: 158.639 Å α: 90.000° β: 98.430° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.15 Solvent Content: 42.9
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MOLECULAR REPLACEMENT FREE R-VALUE 1.77 43.00 163915 2000 96.91 0.1536 0.2002 15.13
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
1.77 43 96.90 0.09684 ? 11.01 7.0 ? 169086 ? ? 11.46
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 1.77 1.833 82.30 ? ? 3.85 7.1 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS-II BEAMLINE 17-ID-1 0.919907 NSLS-II 17-ID-1
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
autoPROC data reduction 1.0.5
autoPROC data scaling 1.0.5
PHENIX phasing 1.20.1_4487
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